CID 140765

2(3h)-furanone

Structural Information

Molecular Formula

C₄H₄O₂

SMILES

C1C=COC1=O

InChI

InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1,3H,2H2

InChIKey

RHDGNLCLDBVESU-UHFFFAOYSA-N

Compound name

3H-furan-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 376
References: 10678
Patents: 84.021126 Da
Monoisotopic Mass: 0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	85.028402	111.2
[M+Na]+	107.01034	122.8
[M+NH4]+	102.05495	120.4
[M+K]+	122.98428	119.6
[M-H]-	83.013850	113.7
[M+Na-2H]-	104.99579	117.0
[M]+	84.020577	113.4
[M]-	84.021675	113.4

Literature stripe

literature stripe

Patent stripe

patents stripe